SCHEMBL4011238

SCHEMBL4011238

O=C(CCCCCNc1c([N+](=O)[O-])cnc2ccccc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 2/20 0.46
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
MAOA P21397 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADORA2A P29274 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6098673 0.88 MAPT (0.52) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL3862383 0.87 MEN1 (0.50) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL3862363 0.87 MEN1 (0.50) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL1951777 0.84 MAPT (0.51) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL1951779 0.84 MAPT (0.51) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL4143499 0.84 MAPT (0.50) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL4316365 0.84 MAPT (0.50) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL3873658 0.84 ALDH1A1 (0.50) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL4314418 0.83 ADRA1A (0.49) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL5361174 0.83 ADRA1A (0.49) MAPTMEN1KMT2ATDP1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
EP-1687307-B1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-01-06 EP disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072893-A1 Substituted imidazo ring systems and methods IL2, IRF3, EIF2AK2 MAPT 4775/4885MEN1 3421/4885KMT2A 4263/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 MAPT 4429/4885MEN1 3724/4885KMT2A 3717/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 MAPT 4429/4885MEN1 3724/4885KMT2A 3717/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.